SCHEMBL17899391

SCHEMBL17899391

C[C@@H](O)c1ccc(C(N)=O)cc1Oc1ccc(N2CC(O)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 10/20 0.38
PARP14 Q460N5 6/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.36
PARP15 Q460N3 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PARP16 Q8N5Y8 1/20 0.36
PARP11 Q9NR21 1/20 0.36
PARP4 Q9UKK3 1/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP1 P09874 1/20 0.36
CHEK2 O96017 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
DRD2 P14416 3/20 0.34
HTR1D P28221 3/20 0.34
HTR2A P28223 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17899389 0.88 MAPK1 (0.37) PARP10PARP14MAPTMAPK1PARP15
SCHEMBL17899151 0.85 ACACB (0.36) PARP10PARP14MAPTMAPK1SCN9A
SCHEMBL17899409 0.82 PARP10 (0.39) PARP10PARP14MAPTPARP15ALDH1A1
SCHEMBL21697466 0.82 SLC6A4 (0.40) PARP10PARP14MAPTMAPK1PARP15
SCHEMBL17899403 0.79 PARP14 (0.37) PARP10PARP14MAPTPARP1CHEK2
SCHEMBL17888597 0.72 PDE4D (0.37) PARP10MAPK1PARP15ALDH1A1PARP2
SCHEMBL17888594 0.72 PDE4D (0.37) PARP10MAPK1PARP15ALDH1A1PARP2
SCHEMBL17899128 0.72 PDE4D (0.37) PARP10MAPK1PARP15ALDH1A1PARP2
SCHEMBL21697468 0.71 SLC6A4 (0.39) PARP10PARP14MAPTMAPK1PARP15
SCHEMBL17899153 0.70 PARP10 (0.37) PARP10PARP14MAPTPARP15ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-05-25 US disclosed
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2021-04-08 US disclosed
EP-3607944-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR Kyoto Pharmaceutical Industries, Ltd. (JP) 2020-02-12 EP disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2016-07-21 US disclosed
EP-3040329-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2016-07-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160207883-A1 NOVEL AROMATIC COMPOUND AND USE THEREOF SOST, BMP2, ALPI PARP10 4022/4885PARP14 4384/4885MAPT 90/4885
US-20210100783-A1 NOVEL CYCLIN-DEPENDENT KINASE 8 AND/OR 19 INHIBITOR CCNI, CDK9, CDK8 PARP10 1849/4885PARP14 1692/4885MAPT 3953/4885
US-11013728-B2 Cyclin-dependent kinase 8 and/or 19 inhibitor CCNI, CDK9, CDKN1A PARP10 1872/4885PARP14 1707/4885MAPT 3849/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.